(5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

Formula:C22H23N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C22H23N3O3S
Smiles	O=C(CN(C(/C(/S1)=C/c2cccn2-c2ccccc2)=O)C1=O)N1CCCCCC1
InChI	InChI=1S/C22H23N3O3S/c26-20(23-12-6-1-2-7-13-23)16-25-21(27)19(29-22(25)28)15-18-11-8-14-24(18)17-9-4-3-5-10-17/h3-5,8-11,14-15H,1-2,6-7,12-13,16H2
InChIK	WLDGGDSKEXXZLM-UHFFFAOYSA-N
TotalMolweight	409.509
Molweight	409.509
MonoisotopicMass	409.146012
CLogP	2.8064
CLogS	-5.755
H Acceptors	6
TotalSurfaceArea	307.59
Relative PSA	0.22946
PolarSurfaceArea	87.92
Druglikeness	0.86805
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	5
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

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